Acetic acid n -hexyl ester

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Structural formula
Structural formula of hexyl acetate
General
Surname Acetic acid n -hexyl ester
other names
  • Hexyl acetate
  • Capryl acetate
  • 1-hexyl acetate
  • n-hexyl acetate
Molecular formula C 8 H 16 O 2
Brief description

colorless liquid with an aromatic odor

External identifiers / databases
CAS number 142-92-7
EC number 205-572-7
ECHA InfoCard 100.005.066
PubChem 8908
Wikidata Q418672
properties
Molar mass 144.21 g mol −1
Physical state

liquid

density

0.87 g cm −3

Melting point

−80 ° C

boiling point

171.5 ° C

Vapor pressure

4.73 hPa (40 ° C)

solubility
  • very sparingly soluble in water (0.4 g l −1 at 20 ° C)
  • very soluble in ethanol and diethyl ether
Refractive index

1.409 (20 ° C, 589 nm)

safety instructions
GHS labeling of hazardous substances
02 - Highly / extremely flammable

Caution

H and P phrases H: 226
P: 210
Toxicological data

36,100 mg kg −1 ( LD 50 ,  rat ,  oral )

As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

Acetic acid n- hexyl ester (also: hexyl acetate ) is a chemical compound from the group of carboxylic acid esters .

Occurrence

Acetic acid n -hexyl ester occurs naturally in apples and other fruits as well as in alcoholic beverages .

Extraction and presentation

Acetic acid n -hexyl ester can be obtained by the acid-catalyzed esterification of 1-hexanol with acetic acid.

Acid-catalyzed esterification of acetic acid with 1-hexanol to n-hexyl acetate

properties

Acetic acid n- hexyl ester is a colorless liquid with an aromatic odor that is very sparingly soluble in water.

use

Acetic acid n -hexyl ester is used as the solvent . It is particularly suitable for dissolving resins , polymers , cellulose derivatives ( but cellulose acetate is insoluble), fats and oils . Small amounts are used as leveling agents in paints .

Due to its sweet, fruity, pear-like smell , it is used in fruity synthetic flavors .

safety instructions

The vapors of acetic acid n -hexyl ester can form an explosive mixture with air ( flash point 56 ° C, ignition temperature 265 ° C).

Individual evidence

  1. ↑ a b c d e f g h i j k l Entry on hexyl acetate in the GESTIS substance database of the IFA , accessed on February 1, 2016(JavaScript required) .
  2. ^ Richard J. Lewis, Sr .: Hawley's Condensed Chemical Dictionary . 15th edition. Wiley-Interscience, 2007, ISBN 978-0-471-76865-4 (English).
  3. ↑ Data sheet hexyl acetate (PDF) from Merck , accessed on March 23, 2012.
  4. ↑ C. Bauer-Christoph, Norbert Christoph, M. Rupp: Spirituosenanalytik. Behr, 2009, ISBN 978-3-89947-440-4 , p. 44 ( limited preview in Google book search)
  5. ↑ a b Fahlbusch, Karl-Georg and Hammerschmidt, Franz-Josef and Panten, Johannes and Pickenhagen, Wilhelm and Schatkowski, Dietmar and and Bauer, Kurt and Garbe, Dorothea and Surburg, Horst: Flavors and Fragrances . In: Ullmann's Encyclopedia of Industrial Chemistry . Wiley-VCH Verlag GmbH & Co. KGaA, 2000, ISBN 978-3-527-30673-2 , doi : 10.1002 / 14356007.a11_141 .
  6. ↑ Data sheet hexyl acetate ( memento from September 23, 2006 in the Internet Archive ) from Silbermann, accessed on March 26, 2012 (PDF; 171 kB).
  7. ^ Dieter Stoye: Solvents . In: Ullmann's Encyclopedia of Industrial Chemistry . Wiley-VCH Verlag GmbH & Co. KGaA, 2000, ISBN 978-3-527-30673-2 , doi : 10.1002 / 14356007.a24_437 .